Stochastic multi-scale modeling for estimating the Mode-I dynamic fracture toughness of CNT-reinforced polymers

IF 8.2 2区材料科学 Q1 ENGINEERING, MANUFACTURING

Composites Part A: Applied Science and Manufacturing Pub Date : 2025-07-01 Epub Date: 2025-03-24 DOI:10.1016/j.compositesa.2025.108882

Reza Yazdanparast, Roham Rafiee

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Abstract

A stochastic hierarchical multiscale model is developed to estimate the Mode-I dynamic fracture toughness of CNT-reinforced polymers, capturing both processing-induced inconsistencies and strain rate effects. At the nanoscale, molecular dynamic simulations of CNT pull-out from the matrix are performed to analyze the CNT-polymer interfacial properties at various pull-out speeds. At the microscale, a rate-dependent finite element model is established to characterize the pull-out profiles for different CNT lengths, orientations, and waviness at various pull-out speeds. Then, the CNT bridging phenomenon along the crack growth path is modeled considering viscoelastic-viscoplastic behavior for the matrix. The influence of CNT lengths, waviness patterns, orientations, and volume fractions at the microscale, as well as CNT agglomeration effects at the mesoscale, on critical fracture energy (G_ID) are determined. At the macroscale, stochastic simulation is performed to estimate G_ID treating involved uncertainties as random variables. Predicted results are in very good agreement with experimental observations.

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估计碳纳米管增强聚合物i型动态断裂韧性的随机多尺度模型

建立了一个随机分层多尺度模型来估计碳纳米管增强聚合物的i型动态断裂韧性，同时捕获了加工引起的不一致性和应变率效应。在纳米尺度上，进行了碳纳米管从基体中拔出的分子动力学模拟，分析了碳纳米管聚合物在不同拔出速度下的界面特性。在微观尺度上，建立了一个速率相关的有限元模型来表征不同碳纳米管长度、方向和波浪度在不同拉出速度下的拉出曲线。然后，考虑基体的粘弹-粘塑性行为，建立了碳纳米管沿裂纹扩展路径的桥接现象模型。研究了碳纳米管的长度、波浪形状、取向和体积分数在微观尺度上以及碳纳米管在中尺度上的团聚效应对临界断裂能（GID）的影响。在宏观尺度上，将涉及的不确定性作为随机变量，进行随机模拟来估计GID。预测结果与实验结果非常吻合。

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来源期刊

Composites Part A: Applied Science and Manufacturing 工程技术-材料科学：复合

CiteScore

15.20

自引率

5.70%

发文量

492

审稿时长

30 days

期刊介绍： Composites Part A: Applied Science and Manufacturing is a comprehensive journal that publishes original research papers, review articles, case studies, short communications, and letters covering various aspects of composite materials science and technology. This includes fibrous and particulate reinforcements in polymeric, metallic, and ceramic matrices, as well as 'natural' composites like wood and biological materials. The journal addresses topics such as properties, design, and manufacture of reinforcing fibers and particles, novel architectures and concepts, multifunctional composites, advancements in fabrication and processing, manufacturing science, process modeling, experimental mechanics, microstructural characterization, interfaces, prediction and measurement of mechanical, physical, and chemical behavior, and performance in service. Additionally, articles on economic and commercial aspects, design, and case studies are welcomed. All submissions undergo rigorous peer review to ensure they contribute significantly and innovatively, maintaining high standards for content and presentation. The editorial team aims to expedite the review process for prompt publication.